#METABOLOMICS WORKBENCH huntermoseley_20180413 DATATRACK_ID:1373 STUDY_ID:ST000952 ANALYSIS_ID:AN001561 PROJECT_ID:PR000653
VERSION             	1
CREATED_ON             	April 18, 2018, 3:36 pm
#PROJECT
PR:PROJECT_TITLE                 	NK versus CD8 T naïve and CD8 T memory
PR:PROJECT_SUMMARY               	Exp to look at lactate/ alanine excreted in supernatant, lactate, citrulline and
PR:PROJECT_SUMMARY               	other TCA intermediates inside cells
PR:INSTITUTE                     	University of Kentucky
PR:DEPARTMENT                    	Markey Cancer Center
PR:LAST_NAME                     	Lutz
PR:FIRST_NAME                    	Charlie
PR:ADDRESS                       	Dept Of Pathology, UKMC
PR:EMAIL                         	ctlutz2@uky.edu
PR:PHONE                         	000-000-0000
#STUDY
ST:STUDY_TITLE                   	Human NK vs T cell metabolism using 13C-Glucose tracer with/out oligomycin and
ST:STUDY_TITLE                   	galactose (part IV)
ST:STUDY_TYPE                    	isotope tracer
ST:STUDY_SUMMARY                 	Human NK vs T cell metabolism using 13C-Glucose tracer with/out oligomycin and
ST:STUDY_SUMMARY                 	galactose
ST:INSTITUTE                     	University of Kentucky
ST:DEPARTMENT                    	Markey Cancer Center
ST:LAST_NAME                     	Presnell
ST:FIRST_NAME                    	Steve
ST:ADDRESS                       	Dept Of Pathology, UKMC
ST:EMAIL                         	srpres2@uky.edu
ST:PHONE                         	000-000-0000
ST:STUDY_COMMENTS                	For additional comments about the study, like listing a publication.
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	20150821_NK_plate1	cell_type:NK	protocol.id=normal_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_NK; cell_count=5000000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_NK_plate1; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_NK_plate1-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_NK_plate1-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2194; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_NK_plate2	cell_type:NK	protocol.id=normal_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_NK; cell_count=5000000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_NK_plate2; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_NK_plate2-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_NK_plate2-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.1998; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_NK_plate3	cell_type:NK	protocol.id=oligomycin_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_NK; cell_count=5000000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_NK_plate3; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_NK_plate3-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_NK_plate3-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.23; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_NK_plate4	cell_type:NK	protocol.id=oligomycin_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_NK; cell_count=5000000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_NK_plate4; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_NK_plate4-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_NK_plate4-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2109; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_NK_plate5	cell_type:NK	protocol.id=galactose_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_NK; cell_count=5000000; cell_type=NK; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_NK_plate5; cell_type=NK; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_NK_plate5-sup; cell_type=NK; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_NK_plate5-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2153; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_T_plate10	cell_type:CD8_T	protocol.id=galactose_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_T; cell_count=4000000; cell_type=CD8_T; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_T_plate10; cell_type=CD8_T; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=galactose_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_T_plate10-sup; cell_type=CD8_T; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_T_plate10-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2216; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_T_plate6	cell_type:CD8_T	protocol.id=normal_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_T; cell_count=4000000; cell_type=CD8_T; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_T_plate6; cell_type=CD8_T; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_T_plate6-sup; cell_type=CD8_T; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_T_plate6-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2279; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_T_plate7	cell_type:CD8_T	protocol.id=normal_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_T; cell_count=4000000; cell_type=CD8_T; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_T_plate7; cell_type=CD8_T; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=normal_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_T_plate7-sup; cell_type=CD8_T; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_T_plate7-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2349; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_T_plate8	cell_type:CD8_T	protocol.id=oligomycin_12CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_T; cell_count=4000000; cell_type=CD8_T; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_T_plate8; cell_type=CD8_T; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_12CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_T_plate8-sup; cell_type=CD8_T; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_T_plate8-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2498; weight%units=g
SUBJECT_SAMPLE_FACTORS           	-	20150821_T_plate9	cell_type:CD8_T	protocol.id=oligomycin_13CGlc; lineage_1=Donor_SRP; protocol.id=normal; species=Homo sapiens; species_type=Animal; taxonomy_id=9606; lineage_2=Donor_SRP_blood_20150821; protocol.id=blood_collection; lineage_3=Donor_SRP_blood_20150821_T; cell_count=4000000; cell_type=CD8_T; protocol.id=cell_extraction; lineage_4=Donor_SRP_blood_20150821_T_plate9; cell_type=CD8_T; plate_media_tare=-1; plate_media_tare%units=g; protocol.id=oligomycin_13CGlc; replicate=1; replicate%type=biological; lineage_5=Donor_SRP_blood_20150821_T_plate9-sup; cell_type=CD8_T; protocol.id=cells_media; lineage_6=Donor_SRP_blood_20150821_T_plate9-sup-polar_GCMS_A; protocol.id=polar_extraction; replicate=1; replicate%type=analytical; type=polar; weight=0.2102; weight%units=g
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood collected from a draw. Collection and quench of cells in tissue culture
CO:COLLECTION_SUMMARY            	Media is extracted from plate.
CO:COLLECTION_PROTOCOL_ID        	blood_collection cell_quench_collection cells_media
CO:COLLECTION_PROTOCOL_FILENAME  	WS_Fan_Quench_cell_tissue.pdf
CO:SAMPLE_TYPE                   	T-Cells
#TREATMENT
TR:TREATMENT_SUMMARY             	Grown in unlabeled glucose and treated with galactose. Normal human, no
TR:TREATMENT_SUMMARY             	treatment. Grown in unlabeled glucose. Grown in labeled glucose. Grown in
TR:TREATMENT_SUMMARY             	unlabeled glucose and treated with oligomycin. Grown in labeled glucose and
TR:TREATMENT_SUMMARY             	treated with oligomycin.
TR:TREATMENT_PROTOCOL_ID         	galactose_12CGlc normal normal_12CGlc normal_13CGlc oligomycin_12CGlc
TR:TREATMENT_PROTOCOL_ID         	oligomycin_13CGlc
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cells of interest extracted from the blood. Polar extraction from cells.
SP:SAMPLEPREP_PROTOCOL_ID        	cell_extraction polar_extraction
SP:SAMPLEPREP_PROTOCOL_FILENAME  	WS_Fan_Extract_Polar_Lipid_Prot.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Targeted GC
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	GC-EI-MS, Thermo ITQ
CH:COLUMN_NAME                   	SGE 0.15 mm i.d. x 50 m fused silica open-tubular column, coated with 0.25 µm BPX-5 (5% phenylmethyl- phenylsiloxane)
CH:COLUMN_NAME                   	BPX-5 (5% phenylmethyl- phenylsiloxane)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo ITQ
MS:INSTRUMENT_TYPE               	GC-ITQ
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GCMS Analytical Experiment with detection of compounds by comparison to
MS:MS_COMMENTS                   	standards. Derivitization is done with MTBSTFA
MS:MS_COMMENTS                   	(N-methyl-N-[tert-butyldimethylsilyl]trifluoroacetamide).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	normalized peak area
MS_METABOLITE_DATA_START
Samples	20150821_NK_plate1	20150821_NK_plate2	20150821_NK_plate3	20150821_NK_plate4	20150821_NK_plate5	20150821_T_plate10	20150821_T_plate6	20150821_T_plate7	20150821_T_plate8	20150821_T_plate9
Factors	cell_type:NK	cell_type:NK	cell_type:NK	cell_type:NK	cell_type:NK	cell_type:CD8_T	cell_type:CD8_T	cell_type:CD8_T	cell_type:CD8_T	cell_type:CD8_T
Ala-13C00	0.0029597190976256623	0.003038447500848469	0.0033095263410210817	0.0007680884156441672	0.0010545444758162873	0.0025634585447594184	0.002587310948725891	0.002595185541897675	0.0012295273471784412	0.0007928308268608107
Ala-13C01	0.000249068730919584	0.0003329793316823123	0.00022440520886155184	0.0005280461264626384	0.00035293995281111823	0.0004684385700372419	0.00034362913304011427	0.00048218749440247986	3.8896882639649676e-06	0.0003007418212013016
Ala-13C02	3.219929040841426e-05	0.001760847549542278	3.841569514861813e-06	0.0022532907491274634	9.448932919585303e-05	6.1667036537161e-05	0	0.0019673165508926984	9.425215548234375e-05	0.0006750897594615407
Ala-13C03	1.5459637489747196e-07	0.0003906499226959531	1.5603778140456092e-05	0.0003249581842265343	6.34288831826409e-05	0	1.51988920099571e-05	0	0	0.0002665063005757508
Ala-ALL	0.003241141715328558	0.005522924304769013	0.0035533768975379515	0.0038743834754608034	0.0015654026410058994	0.0030935641513338214	0.0029461389737759623	0.005044689587192853	0.0013276691909247498	0.002035168708099404
Arg-13C00	0.5314420653496545	0.508036529010994	0.5230414106188469	0.4653913397241952	0.4498688140474638	0.37025764880393125	0.5653322356843498	0.5897193102610379	0.5517448022345595	0.5557170639497878
Arg-13C01	0.03643997945699221	0.05157236363768951	0.025535306881161447	0.047735454445949954	0.014014803763928087	0.024586564755636326	0.030487801169782065	0.05319890816946456	0.03616944600155155	0.039870851348505106
Arg-13C02	0	0	0.006397961590010816	0.0076362625551204075	0.00972387231534192	0	0	0	0	0
Arg-13C03	0	0	0.0026847024278815234	0.002169008365297867	0.008543159981413171	0.002326578367470168	0.004487507319423221	0.007385263242552513	0.003437313940666119	0.0041933949746513184
Arg-13C04	0.000818639788739573	0	0	0	0	0	0	0	0	0.0019831445164617276
Arg-13C05	0	0	0	0	0	5.2736317300444184e-05	0	0.0005726421790489576	0.0006352033092484687	0.0007819259757279332
Arg-13C06	0.0007131352735159242	0.00039366976511905256	0	0.0012558118344342562	0.00046465561085631867	0.0007839265346917692	0.0004074773943339324	0	0	0.00046424120124610225
Arg-ALL	0.5694138198689022	0.5600025624138025	0.5576593815179007	0.5241878769249977	0.4826153057190034	0.39800745477903	0.600715021567889	0.6508761238521039	0.5919867654860257	0.60301062196638
Asn-13C00	0.00860683213454899	0.006905042356943265	0.01123005023014698	0.0058072238296413845	0.005457201069643059	0.002111507493547117	0.008048050538507996	0.008100189559249434	0.007330098602057387	0.0006251725000788988
Asn-13C01	0.001739209621958659	0.00014516513157190007	0.004353823463305931	0.0010311402684914659	0.00418813470879014	0.01013769660993034	0.0038807606284829775	0	0	0.0008416712851016748
Asn-13C02	0.0007052944379839667	0	0	0	0.00101342491143346	0.000743694167200962	0	9.868356940347133e-05	0.0007463039113211181	0.0008991297706560592
Asn-13C03	0	0.0036230431277532705	0.00011167418624864987	0.003009678627334306	0	0.00015480176919742278	8.313100136764916e-05	0.0037496958672833527	5.096555636815623e-06	0.0024404800218920963
Asn-13C04	0	0.00023119294927690366	0	0.0016727493659715483	0.0002694823392985338	0.0002972664521467933	0.00025688825523931616	5.241870210746126e-05	0.0007130159632749587	0.0004510938415822842
Asn-ALL	0.011051336194491616	0.01090444356554534	0.015695547879701562	0.011520792091438704	0.010928243029165192	0.013444966492022635	0.01226883042359794	0.012000987698043718	0.008794515032290279	0.005257547419311013
Asp-13C00	0.04181571002066645	0.0427640152453069	0.041937205715764	0.03809344880407267	0.03337883956251081	0.02958108030045065	0.04665170518678544	0.05109376833994304	0.04236952882933172	0.03689888446747484
Asp-13C01	0.000431644271329376	0.0012695097302157512	0.001791728183675893	0.0018906775933270142	0.0022281160337232634	0.001506841710094791	0.0021114860542373486	0.0013266560476617507	0.0036018186996905955	0.0010730187985550108
Asp-13C02	0.0005510283184545873	0.0007271835166818729	0.00041617724449302044	0.00018240375142011884	0.0001039106567576287	0	0.0004480976083682071	0.0005744761505559118	0	0.0012002546067237992
Asp-13C03	0	0	0	0	0	0.00042098583418531395	0.00010947083233028711	0	0	0
Asp-13C04	0	6.930256355951547e-05	0.00011592734747624983	0.00026394294623852967	0.00013493002798680467	0	6.373849084853729e-05	0.00017131571345169777	7.158422498651119e-05	0.00016127297293849622
Asp-ALL	0.04279838261045041	0.04483001105576404	0.044261038491409166	0.04043047309505833	0.035845796280978504	0.03150890784473075	0.04938449817256982	0.0531662162516124	0.04604293175400882	0.03933343084569215
Cys-13C00	0.05700048641681369	0.07701247450023317	0.059449498929607776	0.0009136187770653495	0.06768333314512452	0.06357566843959328	0.07454109500064629	0.061216420572486115	0.046503127046897366	0.05655988241187862
Cys-13C01	0.0018855752576704761	0	0.003520244391478126	0.021461499666813356	0.0047747532132703125	0.0021300071069546883	0.005347353417407251	0.0022952760946084024	0	0.003880985337404577
Cys-13C02	0	0.006313475533759925	0.0030533622203593757	0	0.003613208120273762	0.0036490382151360048	0.0034317447662259195	0	0	0.0006424999221817523
Cys-13C03	0.0018450985114514369	0	0.0005584843957710226	0.0002822772423054517	0.00022230888499589514	0	0	0.002362572684245076	0	0.0011522125711312641
Cys-ALL	0.060731160185935606	0.0833259500339931	0.0665815899372163	0.02265739568618416	0.07629360336366449	0.06935471376168396	0.08332019318427945	0.06587426935133958	0.046503127046897366	0.06223558024259622
GAB-13C00	8.706303044324678e-05	0.00040773916714665736	0.00012001792025313166	0.0004131611481199697	0.0011187442362722954	0.00019696396809623987	0.00023669754433961786	0.00023203532164366131	0.00046592428054888403	0.0003827535712493181
GAB-13C01	0.0002426560771685758	7.779658983823531e-05	0.00023773537927643948	0.0003729101999518243	0.000364748436343308	6.589276851500447e-05	0.00010298596363005535	0.00021340140565128052	0.0002241585106631097	0
GAB-13C02	5.2539039139212284e-05	0.00015284840883109232	0	0.0001476588074744234	0	0.00036476560318079846	0.00020269345866976479	1.7045703892004864e-05	0.0007788342128731968	0
GAB-13C03	9.450289648178609e-05	8.606152242312962e-05	0.0001985275693036999	0.00048158754954744304	9.101294034875937e-05	0.00046960039715799446	5.4201901399163825e-05	8.019930115938801e-06	0.0002408500746133916	0.00018676806186296925
GAB-13C04	6.514260377575306e-05	0.000190702918167053	0.0003016671009338845	0.0012530704671859633	6.103907977283238e-05	0.0006374390269384481	0.0005903246844884954	0.0006729464305977938	0.0012447188594427085	0.00018560238898569344
GAB-ALL	0.000541903647008574	0.0009151486064061675	0.0008579479697671554	0.0026683881722796236	0.001635544692737195	0.0017346617638884852	0.0011869035525270972	0.0011434487919006792	0.002954485938141291	0.0007551240220979808
Gln-13C00	2.353468918379613	2.4264560709311804	2.164938580611156	1.9966956444608115	1.4924965485307027	1.5935251770826093	2.1679899832446043	2.276484664498714	2.0220062995956685	1.7848061923430685
Gln-13C01	0.1353524412671855	0.13376851705969092	0.12301171800523512	0.10532750312697205	0.08416090174372363	0.08766897715678801	0.14522980603947516	0.14233206634829684	0.12459697737288783	0.09946470591521324
Gln-13C02	0.013076807180454423	0.0026305827652566946	0.0029886604103422534	0.014417620773075672	0.012440135061727907	0.015890080808838854	0.011362678507002897	0.005901557162250464	0.021103294725059937	0.005762561378571681
Gln-13C03	0.0004812826748533006	0.008922281202112956	0	0	0.002710497793058425	0	0.0003516660083777817	0.000250343943996904	0	0.006915132465429187
Gln-13C04	0.0028127722973200027	0.03260160579484679	0.003360545059776483	0.03154208902212897	0.0010960899416938383	0	0.0013397254804199353	0	0	0.014601487897447746
Gln-13C05	0	0	0	0	0.00029610005990823017	0	0	0.0001907031179077506	0	0
Gln-ALL	2.5051922217994265	2.604379057753088	2.29429950408651	2.1479828573829884	1.5932002731308146	1.6970842350482362	2.32627385927988	2.4251593350711653	2.1677065716936164	1.9115500799997303
Glu-13C00	0.07716815483108591	0.07291785816775505	0.06629870820548195	0.07065825113310616	0.05305200519792556	0.050575665738104986	0.0822897192268845	0.07427520393515288	0.07269307726962591	0.0602476082957409
Glu-13C01	0.0035749972585367032	0.006263150408387892	0.0028458146328097576	0.0072799342042293306	0.014678394921806368	0.01572188773679641	0.0057105149219592675	0.003796674263335263	0.010218036365253994	0.007840882059320063
Glu-13C02	0.00035413928631058164	0.00847112621550247	0.0019977564310612295	0.010397117960226784	0.0017677866011937102	0.0009078920069181909	7.919271918602971e-05	0.011648734940951129	0.0009704421041484586	0.015513449130388006
Glu-13C03	7.832344697603246e-05	0.1624600808434674	0.003753787022384523	0.17422423371526177	0.006890103864695482	0.0030174584923241044	0.003227200117973128	0.1625046048354182	0.0025019411871589283	0.3511951410178974
Glu-13C04	0.0005692589832639131	0	0.0004706863143803802	0.005440546532624536	0	0.0001822109587296401	0.00012426521280192713	0	8.498875586643331e-05	0
Glu-13C05	5.649420865912776e-05	0.002703181615534735	9.367631093026449e-05	0.0003038180109664872	0.000984184021766223	0.0006304987799860169	0	0.002550251197009221	0.002140351735519093	0.004606380704257253
Glu-ALL	0.08180136801483226	0.25281539725064756	0.0754604289170481	0.26830390155641504	0.07737247460738735	0.07103561371285934	0.09143089219880486	0.2547754691718667	0.08860883741757282	0.4394034612076036
Gly-13C00	0.016328969669814276	0.01686427085328113	0.014984531297983899	0.015592403816408277	0	0.012065709525653237	0.016422915762925087	0.01676304080140699	0.015125499185353091	0.01123200280077655
Gly-13C01	0.00028336973177622767	0.0010193918435673225	0.00037346118105459754	0.00011840272092323801	0	6.726476001502402e-05	0.0004372888157208491	0.00047550448521319896	0.00032106193063975843	0.0005321954820248773
Gly-13C02	8.2549770283789e-05	0	0.00012040775224278323	0.00017090278246666024	0	0.00010204891848234706	0.00013662966386546196	0.00023561573608426976	0.0002643723906918827	0
Gly-ALL	0.016694889171874294	0.017883662696848452	0.015478400231281279	0.01588170931979818	0	0.012235023204150609	0.0169968342425114	0.01747416102270446	0.015710933506684732	0.011764198282801428
His-13C00	0.0006611147184112749	0.002466182060191951	0.0019545040516455474	0.0016698785240184463	0.0020214461543840443	0.0019059538179710864	0.0010484657998165413	0.0021577787291033735	0.002807668445819737	0.0010930298072970156
His-13C01	0	0	0	3.9899515396161864e-05	0.0005103885266454907	0.0016780143229223868	0	0.0006511707727236241	0.001135514569654548	0.0007659579558714952
His-13C02	0.0023865679596551696	9.086045649849595e-05	0.0004975731864141659	0.0015861280610093788	0.0019371750987025973	0.0014859486024311926	0.0005890189229956495	0.0011631746059125093	0.0004644347332938806	0.0003396714567049969
His-13C03	0.023475114703550005	0.0006311308081504251	0.019036336258793807	0.0001042521931530664	0.03735242071282972	0.04890213995156346	0.031072433753302025	0.0028330396059789756	0.02690232475571691	0.003145295048210079
His-13C04	0.002078261128284012	0.003591950651571266	0.0038684502401952524	0.0019505062547300002	0.000851560135455011	0.0026327757322254356	0.003861039773223028	0.0017729026559288653	0.0060822236689954245	0.006016672412509661
His-13C05	0.02159121457215918	0.00040294845960579725	0.020387249502137054	0.003438433877700076	0.002222280200892944	0.0029993985053024734	0.021090692085045118	0.0006058723967150378	0.007937754738417794	0.00012922194560563497
His-13C06	0.0048301384094976705	0.0010905124357001089	0.00415701649515686	0	0.002899484481071618	0	0.004643876690155393	0.0031340729885121076	0.0007527725887911454	7.730016289434266e-05
His-ALL	0.05502241149155731	0.008273584871718045	0.049901129734342686	0.008789098426007131	0.04779475530998143	0.059604230932416034	0.06230552702453776	0.012318011754874493	0.04608269350068945	0.011567148789093224
Ile-13C00	0.34238959114676865	0.3349718742425678	0.3157672165375463	0.35316651339725835	0.2455331021035689	0.2722760457587172	0.3268163945596534	0.32669494581114317	0.3113486811090804	0.3968515422091529
Ile-13C01	0.02851564907852099	0.02846227193273017	0.026595707128129843	0.031114601269019857	0.01495254571635775	0.018826422727135556	0.025213630684823334	0.03215790875888556	0.022213930590711115	0.028637167402337946
Ile-13C02	0.0007028986080294394	0.0029125233392986584	0.001824460178068325	0.002146580414239045	0	0.0016422921864787333	0.0010887193250971124	0	0.0038002367529046807	0.002481378419709597
Ile-13C03	0.00041775698220636597	0.000528197161270521	0	0.00185353644008917	0	0.0009784586178902177	2.1798466759271696e-05	0	0.0018062637408739637	0.0019400415942550688
Ile-13C04	0.0010911445410350632	0	0	0	0	0	0	0.0006786683802751828	0	0.0007760347487498899
Ile-13C05	1.6828524344959205e-05	0.00010063097105435009	0	0	0.000138433261640682	0.00022327344233986123	8.52726018182533e-05	0	0	0
Ile-13C06	4.014011987609429e-05	0.00011128330063870117	9.743643682474114e-06	1.8310804599529475e-05	7.892452187537582e-05	0.0002058637865119186	2.958548451033473e-05	0.0002155832175338195	0.00011805447368271651	2.6726821598518048e-05
Ile-ALL	0.3731740090007815	0.36708678094756014	0.3441971274874269	0.38829954232520597	0.26070300560344273	0.29415235651907345	0.3532554011226617	0.3597471061678378	0.33928716666725295	0.43071289119580397
Isocitrate-13C00	0	0.0003205661475806331	0.0001708997068478196	0.00045500196031773155	0	0.0001008897091948746	0.00012809679815773968	0	0.0001478793190323905	6.391330160139362e-05
Isocitrate-13C01	0	0	0	0	0	2.5842158961071656e-05	2.8574219787594955e-05	0	0.00010697871126702225	0.0003990830541265312
Isocitrate-13C02	0	0.0006964004473227601	0.00014155227193634264	4.7058845676333e-06	0	0.0003605593098192927	0.0007095506881431367	0	0.0003394278976462955	0
Isocitrate-13C03	0	0	7.920519065474495e-05	0	0	3.293567759458392e-06	0	0	0	6.168238147995964e-05
Isocitrate-13C04	0	9.555930740419727e-05	0.0003032866660318722	0	0	0	0.00021469657843395197	0	0.00022550262633925255	0
Isocitrate-13C05	0	0.0003624360007737992	0.00014871879066656685	8.556704504439252e-05	0	0.00013061213955923865	0	0	0	6.392065686341739e-05
Isocitrate-13C06	0	0	0.00029535281976985494	0	0	0.0001868618344808952	0.00018146605200406626	0	9.621214127761437e-05	5.294538897534171e-05
Isocitrate-ALL	0	0.0014749619030813897	0.0011390154459072013	0.0005452748899297574	0	0.0008080587197748312	0.0012623843365264897	0	0.0009160006955625751	0.0006415447830466436
Itaconate-13C00	0.005990794287864055	0.0011431946593573172	0.00896786324105921	0.02462400389634905	0.0006139506384965053	0.023109170574773838	0.002883991991586195	0.0006058638379044075	0.0040939660748254645	0.02790829165303696
Itaconate-13C01	0	0.007863604297938328	0.009256564592318986	0.021611424350336684	0	0	5.413147776492823e-05	0.0009056276609246674	0.0025366059978684176	0.018811741611006516
Itaconate-13C02	0.0012061963270867649	0	0	0	0	0	0.001272536913425477	0.003880187745606189	6.045797206279156e-05	0.0005034842998804152
Itaconate-13C03	2.2745124045988206e-06	0	0.0009633364328014541	0.0008681958407781354	0	0.0019885656381786916	0.00085642048666489	0	6.829981976817598e-05	0.001965314266810734
Itaconate-13C04	0.0005100273026250704	0.0025183926481913595	0.00013307249232404875	0.001533273662790779	0.0012508753628935898	0.0009406422846593525	0.00016820941118610323	0.004630321021898122	0.0017898077961252233	0.0011038060363736282
Itaconate-ALL	0.007709292429980489	0.011525191605487005	0.019320836758503695	0.048636897750254655	0.001864826001390095	0.026038378497611883	0.005235290280627593	0.010022000266333386	0.008549137660650073	0.050292637867108254
Kynurenic_acid-13C00	0.00015606199883261263	0.0008123638688396804	0.00023429068789716898	0.00042642880291645806	0.0005801118542504658	0.0005432415735668703	8.386543125452142e-05	0.00022199112889792206	0.0004436207455160088	0.00012123064943751646
Kynurenic_acid-13C01	0.0005909227958679826	0.0008162028441649511	0.00013668961520874664	0.0005425850192939189	0.0005390516943364697	0.0015799746658488524	0	0.0008504982093435257	1.2483961587381956e-06	0.0006431329924644724
Kynurenic_acid-13C02	5.6018842536110555e-06	0	9.249661492435435e-05	0.00014873473895236393	8.176903959117109e-05	0	0	5.955477130796896e-05	0	0.00024209842923361818
Kynurenic_acid-13C03	0.0003158549052782347	0.00027470974585582544	4.393447264285819e-05	0.00014548960157174077	0.0007118877680065593	0.0002511189959897796	5.962765212620404e-05	0.0007990141259157491	0.00030821869832271576	0.0002528732113601244
Kynurenic_acid-13C04	0.0002590200254236049	2.6291833553750593e-05	0.00013858822277044338	0.0001442395772874731	6.112838869007789e-05	0.00023065779377195287	9.183169544609986e-05	4.7386304481038916e-05	9.039586596232868e-05	5.8566692550092315e-05
Kynurenic_acid-13C05	6.161589804438419e-05	4.8845851359024976e-05	9.482740471683323e-05	0.00034282536564078783	0.00028239685985928336	6.679324749188558e-05	0.0001450703691731055	0.0004082002137160851	0.000139718963716506	0
Kynurenic_acid-13C06	0.00010230394298608838	5.333706580553805e-06	9.852941898385068e-05	0	0.0003213145094414914	1.882934668628205e-05	7.104118904381858e-05	2.5153178083580574e-05	1.8409598638506946e-05	6.452536958211335e-05
Kynurenic_acid-13C07	0.00010953296594094204	0.00021638412975133906	3.8526199504506106e-05	0	0.0002948528978018786	0.00011019158923138476	5.727007421809805e-05	5.926644539846007e-05	6.574930852381833e-05	0
Kynurenic_acid-13C08	0.00022209290448702498	0.00011018624578904017	0.0004452672362523612	8.543734758433801e-05	0.0001338114665988016	0.00035315051460281635	0.0002209374339761151	0.00022583196619264202	0.00013625368117762518	0.00024406682831766135
Kynurenic_acid-13C09	2.7605314136857332e-05	0.00015202644998398148	0	0.00020539836567974435	0.001427684560333283	0.0005329578936772812	9.20312100877995e-05	0	0.00017861637549766146	9.33316146808154e-05
Kynurenic_acid-13C10	0.00031552994514712066	5.4722330917302636e-05	0.00010240033860634112	0.00017365978698893645	0	4.9014810110914625e-05	5.42191023556404e-05	3.580037675782282e-05	0	0.00011882624548763463
Kynurenic_acid-ALL	0.05502241149155731	0.008273584871718045	0.049901129734342686	0.008789098426007131	0.04779475530998143	0.059604230932416034	0.06230552702453776	0.012318011754874493	0.04608269350068945	0.011567148789093224
Kynurenine-13C00	0.0057876140997189076	0.017338514160633887	0.0029555979620397533	0	0.006463835404492097	0	0.0071504564668919916	0	0.0010638917134579984	0.012691838940941088
Kynurenine-13C01	0.00136663683086746	0	0.0039153808950623935	0	0	0	0.00233351417679634	0	0	0
Kynurenine-13C02	0	0	0.0002506742092206973	0	0	0	0.004934042522052586	0	0.004677932367961035	0.003663459425266067
Kynurenine-13C03	0	0.0017567192581743542	0.0026838056147258965	0	0.006604221824877511	0	0	0	0	0.004159866267284382
Kynurenine-13C04	0.003525092765874596	0.005160416901131381	0	0	0.001338953410115136	0	0.003254248244875655	0	0.007332912476684189	0.000749304380220599
Kynurenine-13C05	0.0023725049636863374	0.007479270841122789	0.006515016039182359	0	0.007518578215022706	0	0.00019333380908157015	0	0.0038232951279107835	0.0023146182907780753
Kynurenine-13C06	0	0.005346613337560623	0.020579242539034665	0	0.010497176943596028	0	0	0	0	0.0023858525382996275
Kynurenine-13C07	0	0.0029180522252842006	0	0	0	0	0.005656838767858112	0	0.0014374467052513703	0.002319658107579011
Kynurenine-13C08	0.007248527717638599	0.0022948191227777264	0.002823611583560547	0	0.001343548845974422	0	0	0	0.0028981411255980766	0.012694419912295286
Kynurenine-ALL	0.020300376377785898	0.042294405846684965	0.039723328842826304	0	0.0337663146440779	0	0.023522433987556254	0	0.021233619516863454	0.04097901786266414
Leu-13C00	0.28416785887851115	0.2923051447192314	0.25266332216054105	0.2630609591440533	4.491485491441289e-05	0.2010023021095265	0.2553294135007713	0.2606102209717582	0.2490834414393643	0.28651071919457294
Leu-13C01	0.022965672119716594	0.019828741776509944	0.015846414530726508	0.020613279939876782	0.0003331655763507564	0.012804623839493616	0.014872928096638215	0.02160933560205492	0.019571503113041448	0.017755848725708553
Leu-13C02	0.002006381711249918	0.0007481989722136385	0.005529448110958469	0.002020587113937512	0.00010351984971730438	0.001415323323995055	0.0016090126213692325	0.0005853209098842368	0.0034768531160016382	0.0019838895740238623
Leu-13C03	0.0012694726461557	0.0015221004170053647	0.0004184951899581702	0.0016408994836961737	0.0014705263469180644	0	0.0016046187371441404	0	0.0037585002143766424	0.0030368478113293896
Leu-13C04	0.0011859130100990835	0	0	0	0.00033293927878153093	0.00024643207576541547	0	0.0007029536001567926	0	0
Leu-13C05	1.2886775865460327e-05	0.00018714251594161975	0.0003045241168170375	0.0001364878158364635	0.00015500834457985918	0.00010871925665749024	0.0002340441675030055	0.0002297087768390531	0.00018362504623488864	0.00014115723837878732
Leu-13C06	3.808766931334994e-05	3.0067579249649418e-05	0.00011101110684247684	6.99623885957503e-05	4.100954695646884e-05	2.020482561714134e-05	0.00024308690343213896	0	5.2013337515022175e-06	0.00011939947314692968
Leu-ALL	0.31164627281091123	0.3146213959801516	0.2748732152158437	0.28754217588599595	0.002481083798218397	0.21559760543105522	0.27389310402685807	0.28373753986069317	0.27607912426277037	0.30954786201716045
Lys-13C00	0.00020198837463261798	2.3071125916831408e-05	5.2943093946564806e-05	8.357689049265553e-05	0.0001343375424537852	4.522360980853851e-05	0.00010034670743734661	0.00011710494105177991	0.00022998528669799847	0.00011587103520665262
Lys-13C01	0.0003689768409374425	0.0001172723133821906	0.0002210230717067547	0.00013099141423427674	0.00017937966776191626	8.892268160247707e-05	0.0005170935683379259	5.887454581739179e-05	0.0008131985535304839	0.00019380554631043796
Lys-13C02	0	6.436391117498691e-05	0.000138038033129339	0	0	0.0004478316658009437	4.646058601499307e-05	5.452245827860789e-06	1.751934657762407e-05	0
Lys-13C03	0.00011822847304624778	0.00019341507283585912	0	0.00010051231518558629	6.653952684008685e-05	0	0.0001810311755433871	6.24900507650825e-05	0.000269716427792795	0.0002594856119981403
Lys-13C04	0	0.00018212829903669752	8.268419803554595e-05	0	9.301641783459154e-05	0	2.505671083787926e-06	3.1544397881521385e-05	0	3.068545202438289e-05
Lys-13C05	9.437191320356967e-06	8.76871481820166e-05	6.916176430568307e-05	0.0004102027060913327	0.00011407617475472929	0.00014565357434703755	3.890904015094006e-05	0.0006037942336836109	0.00010456283181514879	0
Lys-13C06	3.8853582415690954e-05	8.722250601140055e-05	3.134465873723683e-05	0	0.00014078651089644579	5.39572868582115e-05	5.256797473840493e-05	0	1.7135656289518672e-05	0.00014884952777797705
Lys-ALL	0.0007374844623523561	0.0007551603765399827	0.0005951948198611244	0.0007252833260038513	0.0007281358405415548	0.0007815888184172083	0.0009389147233067856	0.0008792604150272474	0.001452118102703569	0.000748697173317591
Malate-13C00	0.00016516021211501953	1.4184388266205933e-05	0.00021716091217298034	0.0014916177968557003	7.234047703915223e-05	8.198751082805737e-05	0.000570342650718821	0.00032578663773613446	0.0009984707501514538	0
Malate-13C01	8.139813728992317e-05	0.00015041663760606393	3.2537961264598475e-05	0	0	5.523571717008817e-05	0	0	2.141737942651195e-05	0
Malate-13C02	1.560580022461314e-05	6.679921319148792e-05	3.4973130626796894e-05	0	5.011663813034886e-05	0.00010926914325434495	0	0.00023472631275836168	0	0
Malate-13C03	2.2287016261505126e-07	0	3.9714676987495095e-05	1.2550994286061689e-05	3.908920791409737e-05	4.137656057558686e-06	2.8455961074767002e-05	1.851027505672334e-05	4.764331403192261e-05	0
Malate-13C04	2.1750763210945682e-05	2.660899979329292e-05	4.0662831675907794e-05	1.7739277015589613e-05	5.282735231753192e-05	0	2.778792318562995e-05	3.826172570796754e-05	2.6599152290177143e-05	0
Malate-ALL	0.0002841377830031166	0.0002580092388570507	0.0003650495127277786	0.0015219080681573517	0.00021437367540113036	0.0002506300273100492	0.000626586534979218	0.000617284951259187	0.0010941305959000656	0
Met-13C00	0.010572931112502596	0.009930515534456338	0.009360594063951524	0.008853322775784605	9.574412309657607e-05	0.00544763484814902	0.009972151763319349	0.007082949225631827	0.0075334787612676615	0.0006974979486095716
Met-13C01	0.000782889368145068	0.0010088867161387887	0.0007487162146891921	0.0004467794695439412	8.219575275286394e-05	0.0005666882776661201	0.0009902975499408496	0.00069737924148823	0.0005698535800825352	0.007660523633921689
Met-13C02	0.00032600005435931263	0.0004691423576487377	0.0004358653175727973	0.00036259844828675467	5.021004309180919e-05	0.00046822225019889845	0.00036941576566202147	0.0005284507733556985	0.00044062427463974923	0.0003495225920696684
Met-13C03	0.00013526953422579214	3.855643186607884e-06	0.0006496180536011204	4.167653846013895e-05	0.0009305598969725178	0.00018972706364176926	1.528782217688e-05	0.00013374489370909695	0.00021871984208991603	0.00030662230933770247
Met-13C04	5.671266584976292e-05	0.0002452072754770181	0	9.382376838349092e-05	5.394004537200085e-06	0	2.1926733538652088e-05	3.505857681297253e-05	0	0
Met-13C05	8.04865428698123e-05	2.8554963888510337e-05	8.34456894912774e-05	0.0002116707565948793	6.875308526182798e-05	0.00010349467639934472	8.044430672964436e-05	0.00015696456343795517	0.00011913417828022182	0.00020371569573211757
Met-ALL	0.011954289277952345	0.011686162490796003	0.011278239339305912	0.01000987175705381	0.0012328569057127952	0.006775767116055153	0.011449523941367395	0.00863454727443578	0.008881810636360083	0.00921788217967075
N-Ace-Asp-13C00	0	0	0	0	0.0024040971910604557	0	0	0	0.001428802766159066	0
N-Ace-Asp-13C01	0	0	0	0	0	0	0	0	0	0
N-Ace-Asp-13C02	0	0	0	0	0.0006691870975787768	0	0	0	0.006515111126504932	0
N-Ace-Asp-13C03	0	0	0	0	0.0012593864777876026	0	0	0	0	0
N-Ace-Asp-13C04	0	0	0	0	0.0003072687101028335	0	0	0	0	0
N-Ace-Asp-13C05	0	0	0	0	0	0	0	0	0	0
N-Ace-Asp-13C06	0	0	0	0	0	0	0	0	6.09334008206953e-05	0
N-Ace-Asp-ALL	0	0	0	0	0.004639939476529668	0	0	0	0.008004847293484694	0
OHPro-13C00	0.048317092854769456	0.04855363258996527	0.044726210509298994	0.07147509938949496	0.02812251943988317	0.03332204157738392	0.057536196363460634	0.06221887130666398	0.06330958973369177	0.044540355757208966
OHPro-13C01	0.0036636329695596257	0.002966198230328652	0.0017381688269328013	0.0027535475731190755	0.0015661601840038075	0.0021937147477276452	0.002515763254198163	0.003320424248479786	0.002615690473962145	0.0036689792603246214
OHPro-13C02	0.00013012611062940957	0	0	0.00042947758577053006	0	0.0003302379863205478	0.0003867862783318148	0.0004399734758376639	0.0009010929244871422	0
OHPro-13C03	0.0003186409486406932	0.00011617179672047671	6.824987878384618e-05	0.0007814926877589613	0.00021069340664317846	0	0	0.0001660779630535513	0.00013618791187497062	0.00017187911223026206
OHPro-13C04	0	0.002694698205427367	3.3764964019278966e-05	0.002130945972509283	0.00013804144927387986	3.610305119820903e-06	5.164188139474536e-05	0.0029788725639981316	2.2473563020191673e-05	0.002106301666261603
OHPro-13C05	1.5982598701797896e-05	0	8.938236872194716e-05	0.00017300125116099255	3.146695838666302e-05	0.00010258954634851248	2.9840279480669746e-05	9.067556795846723e-05	2.173795161620774e-05	0.0001413328867342761
OHPro-ALL	0.05244547548230099	0.05433070082244177	0.046655776547756864	0.07774356445981379	0.0300688814381907	0.03595219416290045	0.06052022805686603	0.06921489512599158	0.06700677255865245	0.05062884868275973
Orn-13C00	0.05327558018958573	0.04377979613819941	0.04041371526949044	0.016070469257623857	0.010446265893362294	0.01798117518700757	0.03604252146496944	0.03397253842099421	0.017530308702916164	0.01109007729586786
Orn-13C01	0	0.00036192147922134237	0.003985016755496202	0.0019154762740931086	0.0027504528445802486	0.0024065968450006463	0.0006971438871458232	0.004890725171090223	0.0011114977104786318	0.0018793529971889685
Orn-13C02	0.0001730854528144838	0.003506635124814414	0.0004977108719714978	7.497263158210075e-05	0	0.0006914385896428715	0.0009895068140756845	0.00015111397906239583	5.075353659273317e-05	7.152755081282243e-05
Orn-13C03	0	0.0007702308213250286	6.816729057950691e-05	0	0.0005483285469193202	0	0	0.0004853392598040847	0	0.00022727572122720712
Orn-13C04	0.00046274091858560694	0	0	0	0	0	0	0	0.00028995769490137703	0.0005493689438129741
Orn-13C05	0	0.0005785296503780791	0.0005852140954236541	0.0001736149515706995	0	0.0006506250805400072	0.0005082489151953459	0.0004765746631433555	0.0014333782661094443	0.0011626016225145066
Orn-ALL	0.05391140656098582	0.04899711321393828	0.0455498242829613	0.018234533114869767	0.013745047284861861	0.021729835702191096	0.038237421081386294	0.03997629149409426	0.02041589591099835	0.014980204131424339
Phe-13C00	0.08947093838116274	0.08668704817050886	0.07911686508090279	0.0898063985477512	0.05458752355402557	0.060909089396119026	0.08718427002350988	0.08696384473979368	0.09644006691750492	0.08125082166977668
Phe-13C01	0.006755056004585082	0.009106610420961175	0.006361951740873164	0.0088307863967837	0.008442404650719233	0.008503353887621554	0.007638553543844414	0.008443857132150526	0.009333950898116018	0.008655646832096011
Phe-13C02	0.0020297260057189704	0.0007198116528592369	0.0009585334786998814	0.0006964557122421552	0	0	0.0012265531621945972	0.0007487507801626087	0	0.0015793250889931294
Phe-13C03	0.00012510453666527097	0.000743145680038029	0.00018249327960690123	0.0004202870628746718	0	0.0006193244348037468	0.0006430866175827588	0	0.0006232962377963955	0.00046230084194045167
Phe-13C04	0	0	0.00020996056869585736	0.00017109765751055936	0	0.00012541634578936865	0	4.3319784872756424e-05	0.00025250537924164637	9.16787647436035e-05
Phe-13C05	0.001171073555287539	0.00041292796800767873	0.0016564922818923524	4.3437242565374224e-05	0.0005150230413772186	0.0002824280825752127	0.000674017812684769	0.0003955233711854881	0.0012153641100711128	0.000846207894319515
Phe-13C06	0.00017231537969145656	1.6213559906613968e-05	0	0.00015647510018815402	8.876839360818529e-05	0.0007184982354516505	0.0004949830965336409	0.00013964764920486905	9.27156914828713e-05	2.8639562925297737e-05
Phe-13C07	0	0.00022668709249588955	7.631820350007023e-05	5.918594216757763e-05	6.977994129055528e-05	0.00015206711720175433	0.00021150693243897697	0.0003129673981289369	0	0.00034127707774829204
Phe-13C08	0	1.3457825786449363e-05	7.238969232078749e-05	8.888339968956356e-05	6.540747235121449e-05	0.0003247658586479362	6.522209259727766e-05	0	0.00015102082972664937	0
Phe-13C09	0.00010687732344154284	0.0002617627776091348	4.349695236245191e-05	0.00011612220942201179	0.0003176400183257661	0	4.4884895135442304e-05	0.0002666728585158953	0.00021298753260308464	8.749469829865548e-05
Phe-ALL	0.09983109118655259	0.09818766514817305	0.08867850127885427	0.10038912927119496	0.06408654707169775	0.07163494335821026	0.09818307817652178	0.09731458371401476	0.10832190759654271	0.09334339243084162
Pro-13C00	0.03860616836704014	0.03828301150077801	0.0337534593547633	0.04342298886975292	0.000130278290215858	0.02917262309874113	0.04181631327573119	0.00013436344960686053	0.04315721903411622	0.038388755155189344
Pro-13C01	0.00297281476906911	0.0023584513466173265	0.002464750848607944	0.0026502071322989434	9.69829012654996e-06	0.0015119166672416915	0.002855651722463183	0.011286691699514012	0.0031401773495913525	0.0020316182707046417
Pro-13C02	0.000760126453108251	0.0006484577835807639	0.0006161390556075624	0	0.00021963774996979009	0.001159025546349543	0.0006654191571995004	0	0.00044207988086743683	0.0008870653341624226
Pro-13C03	0.0001671859296573116	0.0005615194655347713	0.0001518115379551675	0	0.007272760406852848	4.794238323101786e-05	3.6567941850832505e-06	0	0	0
Pro-13C04	5.513780785130873e-05	0	0.00021534619157174297	0	0	0	0	0	0	0.0003853380114061305
Pro-13C05	0.00012261809328694467	7.1636603355109e-05	2.372312880626182e-05	0.00016757129179315101	0	8.518478890534137e-05	0.00021457059622655608	4.892922324772676e-05	0.000181094224460129	0.000280778553809359
Pro-ALL	0.04268405142001307	0.04192307669986598	0.03722523011731198	0.04624076729384501	0.007632374737165046	0.03197669248446872	0.045555611545805515	0.0114699843723686	0.04692057048903514	0.041973555325271895
Ser-13C00	0.06603450068500169	0.06664696607941945	0.06305777866737763	0.06788448347568375	0.04465473147702401	0.04765533603033023	0.06559370885828165	0.06955178690405382	0.062319083129925915	0.0706651296118858
Ser-13C01	0.0017384844341654143	0.002186201162934348	0.0016539813044027672	0.003348111699652306	0.0015886485528674099	0.0017630406612676346	0.0014371404866816925	0.002826749285659659	0.0010381103662943656	0.002659601311577724
Ser-13C02	0.00011514482303688453	8.297502511630884e-06	0.000692080678970945	0.0007697993707374921	0	5.277614507559158e-05	0.0001329068227413683	0.0008832472692470839	0.0006239201895512922	0.0012050908134629216
Ser-13C03	9.960287079362281e-05	0.00022610841885830629	0	0	6.890779621734262e-05	0	0	0	0.0003222357297624257	0
Ser-ALL	0.06798773281299761	0.06906757316372374	0.06540384065075135	0.07200239454607356	0.04631228782610876	0.04947115283667346	0.06716375616770472	0.07326178345896057	0.06430334941553399	0.07452982173692645
Succinate-13C00	0.02859392043614947	0.028504779533353355	0.024726932701130896	0.02097486853683888	0.022193485602769635	0.008245149068020765	0.019318944741882667	0.01300112764775593	0.019556784798326687	0.02060587580718298
Succinate-13C01	0.0020548423963209915	0.0030233938706436705	0.0020846770439165345	9.6391037327569e-05	0.0011402262883389558	0.001272436335711174	0.0018211024036816055	0.001177687712372428	0.0009422161673197263	0.0027297675271474612
Succinate-13C02	0.001633457630830869	0.0007737902097602859	0.0005685748922381758	0.0012208481872059925	0.00046252677264581625	0.0009799156011776364	0.0018150164345108633	0.0001701375368145392	0.0005475475511556058	0.002585278251081612
Succinate-13C03	0.0003480999114491907	0.0004276946862415468	0.0004490942733679034	0.0006293512575105143	0.0013271616422397558	0	0	6.552117270442144e-05	0.00031980321777239063	0.0005280639713573802
Succinate-13C04	0.0005118628407030162	0.0004815348412667827	0.0004488876898496143	0.0005647149295003787	0.0005194586738465697	0.0003916228238997142	0.00011386092086892938	0.0005370034735419967	0.0005003473331222162	0
Succinate-ALL	0.033142183215453536	0.033211193141265645	0.02827816660050312	0.023486173948383336	0.02564285897984073	0.010889123828809289	0.02306892450094407	0.014951477543189316	0.021866699067696626	0.02644898555676943
Thr-13C00	0.1593639770431357	0.16553889189389523	0.15645909186924092	0.1525715883265112	0	0.09525648701122716	0.16869739703873735	0.16368774623971594	0.15141285373184432	0.15287542600225779
Thr-13C01	0.007862783398904652	0.011455626689216767	0.006013828379660283	0.004739691951230931	0	0.003970948537886639	0.006988224533623415	0.0037922048997151283	0.0059203023776685905	0.009293405070116955
Thr-13C02	0.0015840328783885975	0	0.0011478958997494723	0.0015036901510033184	0	0.001841949883790392	0	0.003430651359392811	0.00043006384421273895	0.0029055039529550667
Thr-13C03	0	0	0.0010605795022956758	0.0007820233976822746	0	0	0.0006136057012131261	0	6.500434141182461e-05	0
Thr-13C04	0.00021729999956281347	0.000184410116773961	0	0.00010884419118724091	0	0.0002681677986757317	0.00021397370750969445	0.0005742481883032323	5.969141845727606e-05	0
Thr-ALL	0.16902809331999177	0.17717892869988594	0.16468139565094636	0.15970583801761493	0	0.10133755323157993	0.17651320098108358	0.1714848506871271	0.15788791571359473	0.1650743350253298
Trp-13C00	0.0028586032187631113	0.0006760464696225761	0.0016860140819400676	0.002195126553577951	0.007014113334151289	0.005957172869019763	0.0021861286553010784	0.00109924942156495	0.0031505271636038134	0.0014738330377768844
Trp-13C01	0.0011440655816356323	0.0004048688019819735	0.0006429543604472026	0.0010698320052522391	0.0013933024852658446	0.0019001253947256995	0.0005818193324889424	0.0003143902935266746	0.000384638166741892	0.0007518574694817393
Trp-13C02	0	0.0010372707741545379	0.0006775449227059653	0.0004847275915447591	0.0006196630185978162	0	0.0009245647309982518	0.0009308997443122213	0.0006800044542330152	0.0010033243705875306
Trp-13C03	0.0005758683987109077	0.001006714634173592	0	0.002250972141684193	5.855834900359159e-05	8.025694154377418e-05	0.0008816458460748654	0.0011536492986300095	0.0002611265238354527	0.0009873127281044205
Trp-13C04	0.0002643350973085815	0.0004325956547303487	0.00037667172146008625	0.0006333152525713359	0.000103025688809734	0.0004896690427839903	0.0001576537518930103	0.0013592691558265257	0.0006420278846599986	0.00018623524405378275
Trp-13C05	2.429703060733846e-05	0.00040554229996570733	7.503819091672367e-05	0	0.0002962696470083589	0.00014223154059347573	0.00019483284077598893	6.736981750805379e-06	0	0.0005942196626957813
Trp-13C06	0.0002616811732488994	0.0008811039490230448	0.0002787703783944564	0.0002928767851972298	0.0005896159818703396	0.00015404821905348686	0.0002673394975086817	0.00023842068864451805	0.0005495253872240805	0.0002779145665633377
Trp-13C07	0.00402590443501534	6.293610221685192e-05	0.004562049959644484	0.0001256644699595585	0.0001551503420809386	0.000251739497093889	0.0033806054092195043	0.00030119215770656746	0.0021146120946204465	0.00044480553776392063
Trp-13C08	0.0008414178404379565	0.00028723257554037735	0.0006722195163632549	0.0008493967557524997	0.0007120823940519285	0	0.0016530080914100278	0.0004712649029277298	0.001326257319027422	0.0003668849063712741
Trp-13C09	0.0013022087536379728	0.0002528687850569936	0.0004385605400330515	0.0003858112869229687	0.0005094851512497245	0.00012507166071549353	0	0.0005654312828871703	0.00021946372585032067	0.0005124864333838224
Trp-13C10	0.00030387298775398235	0.0002899661691273652	0.001222555020361866	0.0006543026363568658	0.00015694607813501263	0.0001975886774289255	0.0009538617881087841	0.0011255405733019471	0.0004360860772055	0.0004736050548422566
Trp-13C11	0.00046132941449539093	0.0030484208501993276	0.0002460414852990523	0.0012334625910259522	0.0003386571218828247	0.00041673445683230455	0.0006249724851450167	0.001610225232607191	0.0003731125948134467	0.0019204997158502252
Trp-ALL	0.012063583931615112	0.008785567065792695	0.01087842017756621	0.010175488069845553	0.011946869592107402	0.009714638299790804	0.011806432428924152	0.009176269733686309	0.010137381391815388	0.008992978727474977
Tyr-13C00	0.00021454159628053434	0.00028730043108012927	0.0004132571528652117	0.0005325915138139748	0.0002112977050780253	0.017831669318964634	0	0.00021679444378678632	0.00015032765745018927	0.00046358865265644193
Tyr-13C01	0.0002020261242782222	0	0	0	0.00010968504831779748	0	0	0	0.00018192824466138196	0.00022470395499689564
Tyr-13C02	0.00010772130983651543	0.00014494742601685337	0.00010487794037700735	4.088630567105943e-05	5.123060008097832e-05	0	0	0.00016622936365689442	1.0159719382846682e-05	0
Tyr-13C03	0.0008029357681522404	7.104478428371812e-06	0.0042482561593948686	4.0991190582419544e-05	0.00013904290208617605	0	0	2.1331283669159803e-05	0.0004365292118350729	3.744499884360469e-05
Tyr-13C04	0.00014221657778870598	2.5422573901871e-05	0	4.041159809642212e-05	0.00014734192798157336	0	0	0	0.000937539532561752	2.9336090573071857e-06
Tyr-13C05	0.00047273692204983614	0.0001245177551490874	0	5.581979988566919e-05	0	0.0001396741034202117	0	0.00010183570410436802	0	0.00023150570674435132
Tyr-13C06	0	3.057993010296808e-05	2.4022562002158777e-05	9.796982505588502e-05	2.779277882969937e-05	6.917222385649846e-05	0	4.518780472689307e-05	0.00012198686045703143	0.00012164316228788777
Tyr-13C07	0.00014753568394342237	5.3178452175472045e-05	0.00017293111710453744	0.00015557096043693146	0.00013271616792027264	0.00020797099663718565	0	0.00010017608007001374	0.0002901201831854673	0.00013190741088864525
Tyr-13C08	9.157508438061257e-05	0.00014009643935514556	6.802857063157413e-05	0.00021439078676116198	4.42815671143229e-05	6.157383218327634e-05	0	0.0002455986870606036	0.00013455358732651876	0.0001516746282495023
Tyr-13C09	6.702666810943989e-05	0.004915670736094277	7.152197100539634e-05	0.0018294472473403016	5.579097114230729e-05	7.352608718625638e-05	0	0.003535627006519442	0.00014105526853640683	0.0008497002760494272
Tyr-ALL	0.0022483157348195293	0.005728818222304175	0.005102895473380754	0.003008079227643825	0.0009191796685511527	0.01838358656224806	0	0.0044327803735941616	0.0024042002653966678	0.0022151023997740633
Val-13C00	0.024987683138932248	0.02607261223310016	0.02368103250352327	0.02600716480691867	0	0.020334111327688566	0.024119168634337936	0.024945225815723036	0.024035088387612175	0.029209366157678357
Val-13C01	0.0011846267032413083	0.0011700744831340045	0.0012926035316244567	0.0015363148368420518	0	0.0014190971841696507	0.0016586417343288514	0.0015725350028919756	0.0013081893041794043	0.0013567381987489508
Val-13C02	0.0002678199692600201	0.000495275171853228	0.0003641848249949379	0	0	9.271795723578013e-05	0.0002250145648736453	6.883022899818073e-05	0.0004076903647024469	0.00041981723640674624
Val-13C03	0	9.599345358444277e-05	0	0.0001422721062491094	0	5.8593056684292195e-05	0	0.0001341117260274829	0.00034465442894515236	0
Val-13C04	5.7644158896969996e-05	0	3.3022031324269455e-05	6.268940710575112e-05	0	5.436653467985634e-05	5.6606456757626445e-05	0	0	0
Val-13C05	0	2.244168261742138e-05	0	0	0	0	0	1.8986043647519824e-05	1.0880593551588136e-05	2.2588213808533322e-05
Val-ALL	0.026497773970330547	0.02785639702428926	0.025370842891466933	0.02774844115711558	0	0.021958886060458142	0.02605943139029806	0.026739688817288193	0.02610650307899077	0.03100850980664259
a-glycerol-3P_#1-13C00	0.008261781236150246	0.006129654915818753	0.0014096302278425751	0.005434694286620131	0.005536793702439291	0.0025898869594387	0.008334552325832998	0.01424435534036692	0.0051368045060319525	0.01483845053066958
a-glycerol-3P_#1-13C01	0	0	0.0006149641055173479	0	0.0006045861063690677	0.0033686089452557772	0	0	0.003961677897992545	0
a-glycerol-3P_#1-13C02	0	0	0	0.0006651003331868939	0	0	0.0010174903533703853	0.0006609871765530047	0.00045712336917259075	0
a-glycerol-3P_#1-13C03	0.001412854543168306	0.024790602060963455	0.001156816549194354	0.0008004828918778547	0.001621843025496352	0.002095038088564265	0	0.00212626424880094	0.002669391445694749	0.0029365556478042846
a-glycerol-3P_#1-ALL	0.009674635779318552	0.030920256976782207	0.003181410882554277	0.006900277511684879	0.0077632228343047106	0.00805353399325874	0.009352042679203382	0.017031606765720866	0.012224997218891837	0.017775006178473864
a-glycerol-3P_#2-13C00	0.0004239742893469496	0.0026525537413226263	0.012343297121891184	0.000891021934420612	0.0013530604059015156	0.0026171166077759095	0.006214367834279696	0.011178416170553708	0.0028245785713081496	0.0069816772903942255
a-glycerol-3P_#2-13C01	0.009425271895878532	0	0.008256543148764074	0.003314348234295306	0.0005226819337523191	0	0	0	0.0005448520794168845	0
a-glycerol-3P_#2-13C02	0	0	0	0	0.0027695008410849446	0.001050130669557059	0.005574206912057879	0.00144546791728919	0.0020387135019741677	0
a-glycerol-3P_#2-13C03	0	0.0018452833115603256	0	0.0007159011732468273	0.0003741316006825936	0.0017661582394689612	0	0.0024706592503060307	0	0.004786467451696142
a-glycerol-3P_#2-ALL	0.009849246185225482	0.004497837052882952	0.020599840270655256	0.004921271341962745	0.005019374781421373	0.00543340551680193	0.011788574746337575	0.01509454333814893	0.005408144152699202	0.011768144742090368
a-ketoglutarate-13C00	0.008019373002369023	0.0014889202146853076	0.014573092173201579	0.0005787735229694531	0.002722591882112545	0.0036105863136697875	0.003567684541360773	0.0009362069740536778	0	0
a-ketoglutarate-13C01	0	0.004255744089374272	0.00291271815467117	0.004400741542354606	0	0.005199180979498827	0.0059132782408812465	0.0007686688298774409	0	0
a-ketoglutarate-13C02	0.00043234769672900405	0	0	0	0.004295241033347876	0.0030214536140368963	0	0.0007123687532909891	0	0
a-ketoglutarate-13C03	0.0006377828035022586	0.004651475646276408	0	0	0.0002775062578501681	0.0004051516360899943	0.002735863119114758	0.003946936833559322	0	0
a-ketoglutarate-13C04	0.0010057978778946193	0.038764305961229525	4.777556044361212e-05	0.023482805318800377	0.011580471033310193	0.003209132087559078	0.0004754660317584173	0.02699217478050058	0	0
a-ketoglutarate-13C05	0.0016099801850258124	0	0.0005244302441531933	0	0	0	0.0012158014836650295	0.0008144664455160554	0	0
a-ketoglutarate-ALL	0.011705281565520718	0.049160445911565515	0.018058016132469552	0.028462320384124436	0.018875810206620783	0.015445504630854583	0.013908093416780225	0.03417082261679807	0	0
aOHglutarate-13C00	0.01290667735864556	0.012382716252622262	0.010520388636697506	0.017716913215676516	0.006622346970489243	0.00671044825330851	0.01319586398473925	0.007201377783470087	0.014624230158793132	0.010139590210473155
aOHglutarate-13C01	0.001073468721571834	0.0022113822323081376	0.00415951109696657	0.0027597285056914045	0	0.0029412198774279984	0	0.0013154178920067637	0.004107901096295515	0.001068748414513556
aOHglutarate-13C02	0.00043345925427401983	0.03553601326819731	0	0.018741042650975873	0.003537785572857016	0	0.0015130453483954468	0.027235607826570637	0	0.030373268564541447
aOHglutarate-13C03	0.00024031080163253513	5.3683270901478564e-05	0	0	0	0	0.0003800862236295758	0.0017581257764545473	3.2777916357564453e-06	0
aOHglutarate-13C04	0.00017046160859847663	0.001706376217684369	2.44804162121599e-05	0.0016256772682860486	0.0011009345153018138	0.0008664232653626479	0.00026070238034071414	0.00037857967414050767	7.629495475229713e-05	0.0005910994439723332
aOHglutarate-13C05	0	0	0.00014812446070395425	0.0002950838285228384	0.00018438047940610725	1.9077347476159815e-05	0.00041023251746541217	0	0.000645030545913077	0.0016563553822769369
aOHglutarate-ALL	0.014824377744722426	0.05189017124171356	0.01485250461058019	0.041138445469152685	0.011445447538054179	0.010537168743575317	0.0157599304545704	0.03788910895264254	0.019456734547389776	0.04382906201577743
ascorbate-13C00	6.803000666674848e-05	0.000945002941828427	0.00013136203612780373	0.00010977437997304856	0.0004998959440053714	0.00014591109383187427	0.0008951424920738199	0.00010916857575323095	0.0003341072378565375	0.00018196242871213028
ascorbate-13C01	0.00032656515862474096	6.260830847708324e-05	0.00022986670437188112	0.00013326189081859066	9.430584289673399e-05	0.00018023699851514992	0	0.0005221551221993827	0	0.0009436833239863938
ascorbate-13C02	0	4.353325922912141e-05	0.00010208418473209638	0.00039943853505391134	0.00013928330552100569	0	0.0003699843004331615	0	9.96170023391832e-05	0.00029700643413971614
ascorbate-13C03	0	2.1063802844309457e-05	0	0.00015747620680194187	0	0.00018069531981680388	0	0.00017854809940439658	0.00018542211865916098	0
ascorbate-13C04	0.00010232728570348661	0.00013842522177487016	1.634098984069014e-05	2.168060498617204e-05	0.00013456588388835054	5.759043836548384e-05	0	4.998990784034028e-05	1.2017332452044474e-05	0
ascorbate-13C05	0	7.995742182331884e-05	3.222384412223483e-05	0.00025564648701746384	0	3.752156985739098e-05	1.593973939671413e-05	0	0.0002368485359984483	0.0005871428522553994
ascorbate-13C06	0.00010516133853848515	0.00033045600859471584	8.683991884237827e-05	2.827510764962128e-05	0.00034256958621144785	0.00010275505468638163	0.00024567094546512305	0.00015350121283270665	6.39377976434806e-05	0
ascorbate-ALL	0.0006020837895334612	0.001621046964571846	0.0005987176780370845	0.0011055532123007495	0.0012106205625229095	0.0007047104750730846	0.0015267374773688185	0.0010133629180300572	0.000931950024948855	0.0020097950390936398
bOHbutyrate-13C00	0.007793752547001729	0.008885017957131102	0.005049252261020716	0.009007014251701325	0.00033804389336806963	0.009306023391698573	0.006577459278711632	0.007314959432500216	0.009595337133783816	0.002282698856994771
bOHbutyrate-13C01	0.00040713443982672763	0.0007731692419210713	0.0003414453740819566	0.001283877651701036	0.000845958772447727	0.000504267184044904	0.0008458049435962176	0.0009872315019108203	0.002495822947676498	0.00014653541161115238
bOHbutyrate-13C02	0	0.00014215772486355187	0	0.006362984162510696	0.0009337144828840189	0.00016033288115616586	2.5934198765822892e-05	0.0013219544698617578	0.024119396522425587	0.0012660203075519304
bOHbutyrate-13C03	0.00019653886937962182	0.0004901668839180217	0.0007240331152685599	0.0023415221643220572	0	0.0018935011638532527	0	0	0	0.00033280336668039574
bOHbutyrate-13C04	0	0	0	0.0033784810294954265	0.000374322771025801	0	0	0	0.0040091169360055145	0.0021876636371729696
bOHbutyrate-ALL	0.008397425856208078	0.010290511807833747	0.006114730750371233	0.022373879259730542	0.0024920399197256166	0.011864124620752895	0.007449198421073673	0.009624145404272795	0.04021967353989142	0.006215721580011218
citrate-13C00	9.716659602666358e-05	0.0015802787734515273	0.0001769666682138477	0.0007980905238454632	0.0001300222178617397	4.881710959258763e-05	0.00021869463495133624	0.0005378778280153968	5.4840703620792636e-05	0.000960212281592859
citrate-13C01	7.928990366799519e-05	0	0	0	4.08073303345953e-05	1.6079196463775515e-05	9.690599847424089e-05	8.610337040136702e-05	9.394019272848791e-05	0
citrate-13C02	4.632012599043596e-05	0	0.0002945106485799657	0	4.374371603402876e-05	0.00015608802454260878	0.0001486992461342722	7.68938227336007e-05	0	0
citrate-13C03	1.925525938496054e-05	0	0	0	5.0176680830183025e-05	0	2.811235810781782e-05	2.08006637401431e-05	9.129371125149349e-05	0
citrate-13C04	7.172575968615606e-05	2.7089846217637772e-05	0.00015307653830421905	8.296374668345222e-05	4.802862899893705e-05	3.754884625053078e-05	3.9536601075371986e-05	3.4709535460039436e-05	8.642107725986087e-05	0
citrate-13C05	6.480130730947243e-05	6.333497026070847e-05	8.420617776356247e-06	3.377789468648475e-05	4.7322634411507816e-05	5.015949207657342e-05	7.544546781165976e-05	0.00018113928357551997	2.2331538500923354e-05	8.967927972131696e-05
citrate-13C06	8.830954590374743e-05	0.00011071137978212782	0	0.0001225654500097996	5.40234794920046e-05	0	3.752558495269604e-05	6.5312083542523835e-06	8.237503433665637e-05	0
citrate-ALL	0.00046686849796943116	0.0017814149697120013	0.0006329744728743886	0.0010373976152251998	0.0004141246879629963	0.00030869266892607616	0.000644919891507395	0.0009440557122803194	0.00043120225769821465	0.001049891561314176
fumarate-13C00	0.009305197035511852	0.004763252344380102	0.01123585359698812	0.006228112833610666	0.00015011124728371746	0.004528279985775118	0.00023257204024496842	0.009256898511833655	0.000562983597452366	0.00592522417569881
fumarate-13C01	0.00129534561547214	0.0006498006116852104	0.0016793899393414647	0	0	0.0005912480542478642	0.0035256077690031177	0.0007945180786092724	0.0002452487237238716	0
fumarate-13C02	0.0005143407099543647	2.670152750050457e-05	0.00011300658567744188	5.351527470958471e-05	0.0003199163283217212	0	0	0.0013369932915934725	0	0
fumarate-13C03	0	0.00031707263750915474	0	0.00043106635753123684	0.0006156448970731798	0.0001441392979281513	0	3.6599980694680574e-05	0.0001666212566041336	0.00039885369242187435
fumarate-13C04	0.00020170116032609936	0.003916757434575894	0.00011627369777511444	0.002448528078728827	0	0.0001233940420221501	0.00021751487855043697	0.006060259342643693	0.00012926626047690364	0.00011694594152334097
fumarate-ALL	0.011316584521264456	0.009673584555650865	0.01314452381978214	0.009161222544580315	0.0010856724726786185	0.005387061379973284	0.003975694687798523	0.017485269205374774	0.0011041198382572748	0.006441023809644026
lactate-13C00	0.058570050014908455	0.05745025808626513	0.3333790569795428	0.03905644369904211	0.04661400192249168	0.05039701751749447	0.06436809629019496	0.054768076047715074	0.371720529643771	0.07383903707604705
lactate-13C01	0.0018586401951776932	0.0026815957985202457	0.01100199180584248	0.004051330629087126	0.0007649446908705502	0.0013388153311406168	0.00238909224683538	0.001786188355372754	0.006555918225592873	0.006792551548677566
lactate-13C02	0.00040103262074950524	0.0015313766068954494	0.0009635592624575686	0.01511337657029077	0.0006066651861145506	0.0005048614647602758	6.900088556367443e-05	0.0008237652936060187	0.0031933214086849477	0.019831400135996307
lactate-13C03	0.0020976638535612118	0.011987284918402508	0.002003945214991453	0.3881869718322248	0.002351957928144538	0.003259261867525217	0.003449398761844719	0.012090385327183312	0.002689402964132756	0.4893023562091076
lactate-ALL	0.06292738668439686	0.07365051541008333	0.3473485532628343	0.4464081227306448	0.05033756972762132	0.05549995618092058	0.07027558818443874	0.06946841502387716	0.3841591722421816	0.5897653449698286
pyroGlu-13C00	0.16382285842331157	0.15627108581329238	0.14856522621902502	0.1531381626014685	0.11383210094749158	0.10657886525445505	0.15659450503079367	0.18808822372039025	0.16978620735310623	0.13038779140873058
pyroGlu-13C01	0.011840888788920546	0.013588099183496852	0.00989914840702657	0.011505794427905003	0.00734907290270593	0.008920300939648408	0.012482713101046507	0.010346574657820462	0.009812670373953785	0.007722935911331214
pyroGlu-13C02	0.003251275355973412	0.0006170008345457386	0.0029844852716771502	0	0.0017854341038602514	0.0017595609419704696	0.0027260513948533676	0.004326031366428116	0.0007042657141646639	0.0016807343747869239
pyroGlu-13C03	0.0005085620656567077	0	0	0	0.0012374034239571083	0	0	0.0015115540948267613	0	0.000123963351177099
pyroGlu-13C04	0	0	0	0	0	0	0	0	0.00015443388721313143	0.00045645102579664187
pyroGlu-13C05	0	2.3104782101047724e-05	0.0002168537855646063	0.00010197116630910531	0.00016950528501209915	0.00025128364352339	0.00010139844415477483	0.000133077578231387	2.6542748868446374e-06	4.1443106231447185e-05
pyroGlu-ALL	0.17944023903041934	0.17060434460597185	0.16167381571020342	0.16477232172265255	0.12437705538011185	0.11751937579376336	0.17190466797084833	0.20440546141769697	0.18053186276286312	0.1404193937952057
t-aconitate-13C00	9.40860079505447e-05	0.00022569453815288055	0.0003085751613403393	0	6.23844707718389e-05	0.00013959872271088753	7.035756761088778e-05	8.611808842226874e-05	8.919984812800122e-05	0.00020192726369290748
t-aconitate-13C01	0.00010928528398548059	0	8.39333158123129e-06	0	0.0002170516122327433	8.78384427564759e-05	0.0002156661062421588	2.7737937420886814e-05	0.00020432126240695414	0.00029095944297152126
t-aconitate-13C02	0.0001641620566973149	8.450649936248534e-05	0	0	0.00017629954354083738	0	6.107268468402916e-05	0.0004901700891804962	0.00020440747587782533	0.00019139746269098868
t-aconitate-13C03	6.43549189213333e-05	0	0.000108612431564593	0	0.00011249952156074205	4.2423933197019595e-05	0	0	0.0002602530643233162	0.0001288486414300814
t-aconitate-13C04	7.146123896182376e-05	9.956072855530806e-05	0.00020324963983851162	0	0.00017475918384108507	0.00018794396960731795	5.298450243887176e-05	0	0	0
t-aconitate-13C05	9.597490524487343e-05	7.218085292282311e-05	0.00012938241977227222	0	0.00020371432399645303	3.4258760627412727e-06	6.963925561139026e-05	0.00013926245967256544	1.469659402267519e-05	0.00010235234807510015
t-aconitate-13C06	0	0	0	0	0.00021098336894293947	5.7850680423590515e-05	7.421187353205355e-05	6.706897153086738e-05	0.00018642908691097156	0
t-aconitate-ALL	0.0005993244117613707	0.00048194261899349704	0.0007582129840969475	0	0.0011576920248866393	0.0005190816247580328	0.0005439319901193913	0.0008103575462270846	0.0009593073316697436	0.0009154851588605989
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	compound	isotopologue	isotopologue%type
Ala-13C00	Ala	13C00	13C
Ala-13C01	Ala	13C01	13C
Ala-13C02	Ala	13C02	13C
Ala-13C03	Ala	13C03	13C
Ala-ALL	Ala	ALL	13C
Arg-13C00	Arg	13C00	13C
Arg-13C01	Arg	13C01	13C
Arg-13C02	Arg	13C02	13C
Arg-13C03	Arg	13C03	13C
Arg-13C04	Arg	13C04	13C
Arg-13C05	Arg	13C05	13C
Arg-13C06	Arg	13C06	13C
Arg-ALL	Arg	ALL	13C
Asn-13C00	Asn	13C00	13C
Asn-13C01	Asn	13C01	13C
Asn-13C02	Asn	13C02	13C
Asn-13C03	Asn	13C03	13C
Asn-13C04	Asn	13C04	13C
Asn-ALL	Asn	ALL	13C
Asp-13C00	Asp	13C00	13C
Asp-13C01	Asp	13C01	13C
Asp-13C02	Asp	13C02	13C
Asp-13C03	Asp	13C03	13C
Asp-13C04	Asp	13C04	13C
Asp-ALL	Asp	ALL	13C
Cys-13C00	Cys	13C00	13C
Cys-13C01	Cys	13C01	13C
Cys-13C02	Cys	13C02	13C
Cys-13C03	Cys	13C03	13C
Cys-ALL	Cys	ALL	13C
GAB-13C00	GAB	13C00	13C
GAB-13C01	GAB	13C01	13C
GAB-13C02	GAB	13C02	13C
GAB-13C03	GAB	13C03	13C
GAB-13C04	GAB	13C04	13C
GAB-ALL	GAB	ALL	13C
Gln-13C00	Gln	13C00	13C
Gln-13C01	Gln	13C01	13C
Gln-13C02	Gln	13C02	13C
Gln-13C03	Gln	13C03	13C
Gln-13C04	Gln	13C04	13C
Gln-13C05	Gln	13C05	13C
Gln-ALL	Gln	ALL	13C
Glu-13C00	Glu	13C00	13C
Glu-13C01	Glu	13C01	13C
Glu-13C02	Glu	13C02	13C
Glu-13C03	Glu	13C03	13C
Glu-13C04	Glu	13C04	13C
Glu-13C05	Glu	13C05	13C
Glu-ALL	Glu	ALL	13C
Gly-13C00	Gly	13C00	13C
Gly-13C01	Gly	13C01	13C
Gly-13C02	Gly	13C02	13C
Gly-ALL	Gly	ALL	13C
His-13C00	His	13C00	13C
His-13C01	His	13C01	13C
His-13C02	His	13C02	13C
His-13C03	His	13C03	13C
His-13C04	His	13C04	13C
His-13C05	His	13C05	13C
His-13C06	His	13C06	13C
His-ALL	His	ALL	13C
Ile-13C00	Ile	13C00	13C
Ile-13C01	Ile	13C01	13C
Ile-13C02	Ile	13C02	13C
Ile-13C03	Ile	13C03	13C
Ile-13C04	Ile	13C04	13C
Ile-13C05	Ile	13C05	13C
Ile-13C06	Ile	13C06	13C
Ile-ALL	Ile	ALL	13C
Isocitrate-13C00	Isocitrate	13C00	13C
Isocitrate-13C01	Isocitrate	13C01	13C
Isocitrate-13C02	Isocitrate	13C02	13C
Isocitrate-13C03	Isocitrate	13C03	13C
Isocitrate-13C04	Isocitrate	13C04	13C
Isocitrate-13C05	Isocitrate	13C05	13C
Isocitrate-13C06	Isocitrate	13C06	13C
Isocitrate-ALL	Isocitrate	ALL	13C
Itaconate-13C00	Itaconate	13C00	13C
Itaconate-13C01	Itaconate	13C01	13C
Itaconate-13C02	Itaconate	13C02	13C
Itaconate-13C03	Itaconate	13C03	13C
Itaconate-13C04	Itaconate	13C04	13C
Itaconate-ALL	Itaconate	ALL	13C
Kynurenic_acid-13C00	Kynurenic_acid	13C00	13C
Kynurenic_acid-13C01	Kynurenic_acid	13C01	13C
Kynurenic_acid-13C02	Kynurenic_acid	13C02	13C
Kynurenic_acid-13C03	Kynurenic_acid	13C03	13C
Kynurenic_acid-13C04	Kynurenic_acid	13C04	13C
Kynurenic_acid-13C05	Kynurenic_acid	13C05	13C
Kynurenic_acid-13C06	Kynurenic_acid	13C06	13C
Kynurenic_acid-13C07	Kynurenic_acid	13C07	13C
Kynurenic_acid-13C08	Kynurenic_acid	13C08	13C
Kynurenic_acid-13C09	Kynurenic_acid	13C09	13C
Kynurenic_acid-13C10	Kynurenic_acid	13C10	13C
Kynurenic_acid-ALL	Kynurenic_acid	ALL	13C
Kynurenine-13C00	Kynurenine	13C00	13C
Kynurenine-13C01	Kynurenine	13C01	13C
Kynurenine-13C02	Kynurenine	13C02	13C
Kynurenine-13C03	Kynurenine	13C03	13C
Kynurenine-13C04	Kynurenine	13C04	13C
Kynurenine-13C05	Kynurenine	13C05	13C
Kynurenine-13C06	Kynurenine	13C06	13C
Kynurenine-13C07	Kynurenine	13C07	13C
Kynurenine-13C08	Kynurenine	13C08	13C
Kynurenine-ALL	Kynurenine	ALL	13C
Leu-13C00	Leu	13C00	13C
Leu-13C01	Leu	13C01	13C
Leu-13C02	Leu	13C02	13C
Leu-13C03	Leu	13C03	13C
Leu-13C04	Leu	13C04	13C
Leu-13C05	Leu	13C05	13C
Leu-13C06	Leu	13C06	13C
Leu-ALL	Leu	ALL	13C
Lys-13C00	Lys	13C00	13C
Lys-13C01	Lys	13C01	13C
Lys-13C02	Lys	13C02	13C
Lys-13C03	Lys	13C03	13C
Lys-13C04	Lys	13C04	13C
Lys-13C05	Lys	13C05	13C
Lys-13C06	Lys	13C06	13C
Lys-ALL	Lys	ALL	13C
Malate-13C00	Malate	13C00	13C
Malate-13C01	Malate	13C01	13C
Malate-13C02	Malate	13C02	13C
Malate-13C03	Malate	13C03	13C
Malate-13C04	Malate	13C04	13C
Malate-ALL	Malate	ALL	13C
Met-13C00	Met	13C00	13C
Met-13C01	Met	13C01	13C
Met-13C02	Met	13C02	13C
Met-13C03	Met	13C03	13C
Met-13C04	Met	13C04	13C
Met-13C05	Met	13C05	13C
Met-ALL	Met	ALL	13C
N-Ace-Asp-13C00	N-Ace-Asp	13C00	13C
N-Ace-Asp-13C01	N-Ace-Asp	13C01	13C
N-Ace-Asp-13C02	N-Ace-Asp	13C02	13C
N-Ace-Asp-13C03	N-Ace-Asp	13C03	13C
N-Ace-Asp-13C04	N-Ace-Asp	13C04	13C
N-Ace-Asp-13C05	N-Ace-Asp	13C05	13C
N-Ace-Asp-13C06	N-Ace-Asp	13C06	13C
N-Ace-Asp-ALL	N-Ace-Asp	ALL	13C
OHPro-13C00	OHPro	13C00	13C
OHPro-13C01	OHPro	13C01	13C
OHPro-13C02	OHPro	13C02	13C
OHPro-13C03	OHPro	13C03	13C
OHPro-13C04	OHPro	13C04	13C
OHPro-13C05	OHPro	13C05	13C
OHPro-ALL	OHPro	ALL	13C
Orn-13C00	Orn	13C00	13C
Orn-13C01	Orn	13C01	13C
Orn-13C02	Orn	13C02	13C
Orn-13C03	Orn	13C03	13C
Orn-13C04	Orn	13C04	13C
Orn-13C05	Orn	13C05	13C
Orn-ALL	Orn	ALL	13C
Phe-13C00	Phe	13C00	13C
Phe-13C01	Phe	13C01	13C
Phe-13C02	Phe	13C02	13C
Phe-13C03	Phe	13C03	13C
Phe-13C04	Phe	13C04	13C
Phe-13C05	Phe	13C05	13C
Phe-13C06	Phe	13C06	13C
Phe-13C07	Phe	13C07	13C
Phe-13C08	Phe	13C08	13C
Phe-13C09	Phe	13C09	13C
Phe-ALL	Phe	ALL	13C
Pro-13C00	Pro	13C00	13C
Pro-13C01	Pro	13C01	13C
Pro-13C02	Pro	13C02	13C
Pro-13C03	Pro	13C03	13C
Pro-13C04	Pro	13C04	13C
Pro-13C05	Pro	13C05	13C
Pro-ALL	Pro	ALL	13C
Ser-13C00	Ser	13C00	13C
Ser-13C01	Ser	13C01	13C
Ser-13C02	Ser	13C02	13C
Ser-13C03	Ser	13C03	13C
Ser-ALL	Ser	ALL	13C
Succinate-13C00	Succinate	13C00	13C
Succinate-13C01	Succinate	13C01	13C
Succinate-13C02	Succinate	13C02	13C
Succinate-13C03	Succinate	13C03	13C
Succinate-13C04	Succinate	13C04	13C
Succinate-ALL	Succinate	ALL	13C
Thr-13C00	Thr	13C00	13C
Thr-13C01	Thr	13C01	13C
Thr-13C02	Thr	13C02	13C
Thr-13C03	Thr	13C03	13C
Thr-13C04	Thr	13C04	13C
Thr-ALL	Thr	ALL	13C
Trp-13C00	Trp	13C00	13C
Trp-13C01	Trp	13C01	13C
Trp-13C02	Trp	13C02	13C
Trp-13C03	Trp	13C03	13C
Trp-13C04	Trp	13C04	13C
Trp-13C05	Trp	13C05	13C
Trp-13C06	Trp	13C06	13C
Trp-13C07	Trp	13C07	13C
Trp-13C08	Trp	13C08	13C
Trp-13C09	Trp	13C09	13C
Trp-13C10	Trp	13C10	13C
Trp-13C11	Trp	13C11	13C
Trp-ALL	Trp	ALL	13C
Tyr-13C00	Tyr	13C00	13C
Tyr-13C01	Tyr	13C01	13C
Tyr-13C02	Tyr	13C02	13C
Tyr-13C03	Tyr	13C03	13C
Tyr-13C04	Tyr	13C04	13C
Tyr-13C05	Tyr	13C05	13C
Tyr-13C06	Tyr	13C06	13C
Tyr-13C07	Tyr	13C07	13C
Tyr-13C08	Tyr	13C08	13C
Tyr-13C09	Tyr	13C09	13C
Tyr-ALL	Tyr	ALL	13C
Val-13C00	Val	13C00	13C
Val-13C01	Val	13C01	13C
Val-13C02	Val	13C02	13C
Val-13C03	Val	13C03	13C
Val-13C04	Val	13C04	13C
Val-13C05	Val	13C05	13C
Val-ALL	Val	ALL	13C
a-glycerol-3P_#1-13C00	a-glycerol-3P_#1	13C00	13C
a-glycerol-3P_#1-13C01	a-glycerol-3P_#1	13C01	13C
a-glycerol-3P_#1-13C02	a-glycerol-3P_#1	13C02	13C
a-glycerol-3P_#1-13C03	a-glycerol-3P_#1	13C03	13C
a-glycerol-3P_#1-ALL	a-glycerol-3P_#1	ALL	13C
a-glycerol-3P_#2-13C00	a-glycerol-3P_#2	13C00	13C
a-glycerol-3P_#2-13C01	a-glycerol-3P_#2	13C01	13C
a-glycerol-3P_#2-13C02	a-glycerol-3P_#2	13C02	13C
a-glycerol-3P_#2-13C03	a-glycerol-3P_#2	13C03	13C
a-glycerol-3P_#2-ALL	a-glycerol-3P_#2	ALL	13C
a-ketoglutarate-13C00	a-ketoglutarate	13C00	13C
a-ketoglutarate-13C01	a-ketoglutarate	13C01	13C
a-ketoglutarate-13C02	a-ketoglutarate	13C02	13C
a-ketoglutarate-13C03	a-ketoglutarate	13C03	13C
a-ketoglutarate-13C04	a-ketoglutarate	13C04	13C
a-ketoglutarate-13C05	a-ketoglutarate	13C05	13C
a-ketoglutarate-ALL	a-ketoglutarate	ALL	13C
aOHglutarate-13C00	aOHglutarate	13C00	13C
aOHglutarate-13C01	aOHglutarate	13C01	13C
aOHglutarate-13C02	aOHglutarate	13C02	13C
aOHglutarate-13C03	aOHglutarate	13C03	13C
aOHglutarate-13C04	aOHglutarate	13C04	13C
aOHglutarate-13C05	aOHglutarate	13C05	13C
aOHglutarate-ALL	aOHglutarate	ALL	13C
ascorbate-13C00	ascorbate	13C00	13C
ascorbate-13C01	ascorbate	13C01	13C
ascorbate-13C02	ascorbate	13C02	13C
ascorbate-13C03	ascorbate	13C03	13C
ascorbate-13C04	ascorbate	13C04	13C
ascorbate-13C05	ascorbate	13C05	13C
ascorbate-13C06	ascorbate	13C06	13C
ascorbate-ALL	ascorbate	ALL	13C
bOHbutyrate-13C00	bOHbutyrate	13C00	13C
bOHbutyrate-13C01	bOHbutyrate	13C01	13C
bOHbutyrate-13C02	bOHbutyrate	13C02	13C
bOHbutyrate-13C03	bOHbutyrate	13C03	13C
bOHbutyrate-13C04	bOHbutyrate	13C04	13C
bOHbutyrate-ALL	bOHbutyrate	ALL	13C
citrate-13C00	citrate	13C00	13C
citrate-13C01	citrate	13C01	13C
citrate-13C02	citrate	13C02	13C
citrate-13C03	citrate	13C03	13C
citrate-13C04	citrate	13C04	13C
citrate-13C05	citrate	13C05	13C
citrate-13C06	citrate	13C06	13C
citrate-ALL	citrate	ALL	13C
fumarate-13C00	fumarate	13C00	13C
fumarate-13C01	fumarate	13C01	13C
fumarate-13C02	fumarate	13C02	13C
fumarate-13C03	fumarate	13C03	13C
fumarate-13C04	fumarate	13C04	13C
fumarate-ALL	fumarate	ALL	13C
lactate-13C00	lactate	13C00	13C
lactate-13C01	lactate	13C01	13C
lactate-13C02	lactate	13C02	13C
lactate-13C03	lactate	13C03	13C
lactate-ALL	lactate	ALL	13C
pyroGlu-13C00	pyroGlu	13C00	13C
pyroGlu-13C01	pyroGlu	13C01	13C
pyroGlu-13C02	pyroGlu	13C02	13C
pyroGlu-13C03	pyroGlu	13C03	13C
pyroGlu-13C04	pyroGlu	13C04	13C
pyroGlu-13C05	pyroGlu	13C05	13C
pyroGlu-ALL	pyroGlu	ALL	13C
t-aconitate-13C00	t-aconitate	13C00	13C
t-aconitate-13C01	t-aconitate	13C01	13C
t-aconitate-13C02	t-aconitate	13C02	13C
t-aconitate-13C03	t-aconitate	13C03	13C
t-aconitate-13C04	t-aconitate	13C04	13C
t-aconitate-13C05	t-aconitate	13C05	13C
t-aconitate-13C06	t-aconitate	13C06	13C
t-aconitate-ALL	t-aconitate	ALL	13C
METABOLITES_END
#END